2-Methyl-3-phenylpyrido<2,3-d>pyrimidin-4(3H)-one | 54716-27-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 2-Methyl-3-phenylpyrido<2,3-d>pyrimidin-4(3H)-one
• 英文别名: 2-methyl-3-phenyl-3H-pyrido[2,3-d]pyrimidin-4-one；2-Methyl-3-phenylpyrido[2,3-d]pyrimidin-4(3H)-one；2-methyl-3-phenylpyrido[2,3-d]pyrimidin-4-one
• CAS: 54716-27-7
• 化学式: C₁₄H₁₁N₃O
• 分子量: 237.261
• InChiKey: SXXXSMSELZOAIF-UHFFFAOYSA-N

物化性质

• 熔点：
  203-204 °C
• 沸点：
  421.4±37.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methyl-3-phenylpyrido<2,3-d>pyrimidin-4(3H)-one 、 N-(4-甲氧亚苄基)苯胺 以 溶剂黄146 为溶剂， 生成 2-(p-Methoxystyryl)-3-phenylpyrido<2,3-d>pyrimidin-4(3H)-one
  参考文献：
  名称：

  Reddy, M. Satyanarayana; Ratnam, C. V., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 10, p. 977 - 979

  摘要：

  DOI：
• 作为产物：
  描述：

  2-methyl-4H-pyrido[2,3-d][1,3]oxazin-4-one 、 苯胺 以 溶剂黄146 为溶剂， 反应 0.5h， 生成 2-Methyl-3-phenylpyrido<2,3-d>pyrimidin-4(3H)-one
  参考文献：
  名称：

  Reddy, M. Satyanarayana; Ratnam, C. V., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 10, p. 977 - 979

  摘要：

  DOI：

文献信息

• Synthesis and anticonvulsant evaluation of some new 2-substituted-3-arylpyrido[2,3-d]pyrimidinones
  作者：David C. White、Thomas D. Greenwood、Aaron L. Downey、Jeffrey R. Bloomquist、James F. Wolfe

  DOI：10.1016/j.bmc.2004.07.068

  日期：2004.11

  A series of 2-substituted-3-aryl pyrido[2,3-d]pyrimidinones was prepared for evaluation as potential anticonvulsants. In murine screening, compounds 4a-c having a 2-oxo-2-(4-pyridyl)ethyl group in the 2-position and a 2-substituted phenyl moiety at the 3-position of the pyridopyrimidinone system displayed the most potent anti-seizure activity in both the maximal electroshock (MES) and pentylenetetrazol (scPTZ) tests at doses in the 3-10mg/kg range. Compound 4c showed no agonist activity at the GABA(A) receptor and was unable to block presynaptic sodium and calcium channels in vitro. (C) 2004 Elsevier Ltd. All rights reserved.
• REDDY, M. SATYANARAYANA;RATNAM, C. V., INDIAN J. CHEM., 1984, 23, N 10, 977-979
  作者：REDDY, M. SATYANARAYANA、RATNAM, C. V.

  DOI：——

  日期：——